CHEMBL201022


SMILES CCCn1c(=O)c2nc(-c3ccc(OCC(=O)c4ccc(I)cc4)cc3)[nH]c2n(CCC)c1=O
InChIKey RAKPTCORSHLZMM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 572.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pKi 5.23 5.23 5.23 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.67 8.67 8.67 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database